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Receptor
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZB A:128;
B:128;
Valid;
Valid;
none;
none;
Kd = 1.2 uM
240.3 C15 H16 N2 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R1V 2.19 Å NON-ENZYME: BINDING ODORANT BINDING PROTEIN 7 FROM ANOPHELES GAMBIAE WITH FOUR D BRIDGES, IN COMPLEX WITH AN AZO COMPOUND ANOPHELES GAMBIAE ALL HELICAL PROTEIN ODORANT MOLECULES BINDING MOSQUITO ANTTRANSPORT PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 7 ANOPHELES GAMBIAE EXHIBITS AN OUTSTANDING ADAPTABIL ITS BINDING SITE. J.MOL.BIOL. V. 414 401 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3R1V Kd = 1.2 uM AZB C15 H16 N2 O CC(C)c1ccc....
2 3R1P - PLM C16 H32 O2 CCCCCCCCCC....
3 3R1O - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZB 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R1V; Ligand: AZB; Similar sites found with APoc: 158
This union binding pocket(no: 1) in the query (biounit: 3r1v.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 4WG0 CHD None
3 3KO0 TFP None
4 3G5K BB2 None
5 4WGF HX2 None
6 3KYQ DPV None
7 5WQJ 7N3 None
8 5CHR 4NC None
9 2YLD CMO None
10 4IAE 1DX None
11 5XNA SHV None
12 3ET3 ET1 None
13 6DIO CIT None
14 2VWA PTY None
15 4K7O EKZ None
16 5ZA2 NXL 1.5748
17 1RM8 BAT 1.5748
18 5X80 SAL 1.5748
19 5UGW GSH 2.3622
20 2O5L MNR 2.3622
21 4DK7 0KS 2.3622
22 2Z9I GLY ALA THR VAL 2.3622
23 2XXP DSL 2.3622
24 6C0B PAM 2.3622
25 4MYD 164 2.3622
26 2WOR 2AN 3
27 3TL1 JRO 3.14961
28 4AIG FLX 3.14961
29 1M2Z BOG 3.14961
30 3ZCB ATP 3.14961
31 2A1L PCW 3.14961
32 3KC1 2T6 3.14961
33 3AQT RCO 3.93701
34 1R6N 434 3.93701
35 3ZQE DXC 3.93701
36 2OKL BB2 3.93701
37 2OCI TYC 3.93701
38 4G2R H1L 3.93701
39 1GT4 UNA 3.93701
40 2F7A BEZ 3.93701
41 6AYH C3G 3.93701
42 6AYI C3G 3.93701
43 4FLP JQ1 4.20168
44 4QEK GLC 4.65116
45 1B4N GUA 4.72441
46 5M36 9SZ 4.72441
47 1LQY BB2 4.72441
48 4DW4 U5P 4.72441
49 3BJC WAN 4.72441
50 2AK3 AMP 4.72441
51 2Q1H AS4 4.72441
52 2GBB CIT 4.72441
53 1ON3 DXX 4.72441
54 5JF2 SF7 4.72441
55 4OAR 2S0 4.72441
56 4ZVI 4S4 4.72441
57 5C1M OLC 5.51181
58 3TDC 0EU 5.51181
59 5C1M CLR 5.51181
60 5C1M 4VO 5.51181
61 1PNF NDG NAG 5.51181
62 6A5Y 9CR 5.51181
63 3FAL REA 5.51181
64 4X8D AVI 5.51181
65 3TTZ 07N 5.51181
66 6BR9 6OU 5.51181
67 3V49 PK0 5.51181
68 4J6C STR 5.51181
69 2AX9 BHM 5.51181
70 5OM2 DXT 5.51181
71 5UC1 486 5.51181
72 1RV1 IMZ 5.88235
73 2V5E SCR 5.94059
74 2HPL ASP ASP LEU TYR GLY 6
75 2Z77 NCA 6.29921
76 5AAV GW5 6.29921
77 1KUK PCA LYS TRP 6.29921
78 5MTE BB2 6.29921
79 3GN8 DEX 6.29921
80 1NHZ 486 6.29921
81 4MGB XDH 6.29921
82 4MGD 27N 6.29921
83 3RS8 ALA TRP LEU PHE GLU ALA 6.29921
84 4E2J MOF 6.29921
85 1FBL HTA 6.29921
86 4CUB GAL NAG 6.29921
87 2BCG GER 6.29921
88 5UC9 MYR 7.08661
89 2BP1 FLC 7.08661
90 2Q8G AZX 7.08661
91 3SE5 ANP 7.08661
92 2H7C COA 7.08661
93 3NJQ NJQ 7.08661
94 3LXI CAM 7.08661
95 5MWE TCE 7.14286
96 3VSV XYP 7.87402
97 4BG4 ARG 7.87402
98 2OBF F83 7.87402
99 3R9C ECL 7.87402
100 2OBF SAH 7.87402
101 4DD8 BAT 7.87402
102 3TKY N7I 7.87402
103 5EO8 TFU 7.87402
104 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 8.57143
105 6BR8 PGV 8.66142
106 4HE2 AMP 8.66142
107 2E40 LGC 8.66142
108 1YRO UDP 8.66142
109 3N7S 3N7 8.69565
110 4DE3 DN8 9.44882
111 1JGS SAL 9.44882
112 4O8A 2OP 9.44882
113 2YJD YJD 9.44882
114 2UXI G50 9.44882
115 3ET1 ET1 9.44882
116 2EVL GAL SPH EIC 9.44882
117 3UWB BB2 9.44882
118 4RW3 DKA 10.2362
119 1DTL BEP 10.2362
120 5VGS 9A4 10.2362
121 5W97 CHD 11.0092
122 5Z84 CHD 11.0092
123 5ZCO CHD 11.0092
124 1Q1Y BB2 11.0236
125 4XNV BUR 11.0236
126 3O01 DXC 11.811
127 4DOO DAO 11.811
128 5W7B MYR 12.5984
129 1Q3A NGH 12.5984
130 4OB6 S2T 12.5984
131 4C1M NIH 12.963
132 5C9J DAO 13.3858
133 2Y69 CHD 13.3858
134 1XVB BBX 13.3858
135 5NNT DPV 13.5135
136 4TV1 36M 14.1732
137 2QZO KN1 14.1732
138 1DKF OLA 14.1732
139 1HG4 LPP 14.9606
140 5L9B AKG 14.9606
141 5L9V OGA 14.9606
142 2EG5 SAH 14.9606
143 4P6X HCY 15.748
144 5OSW DIU 16.5354
145 4DR9 BB2 16.5354
146 1R55 097 17.3228
147 2ALG DAO 19.5652
148 4V1F BQ1 20.9302
149 4IA6 EIC 22.8346
150 5LX9 OLB 23.622
151 5LWY OLB 25.2101
152 5X5M 7YU 25.9843
153 4DOL PLM 27.5591
154 3R9V DXC 29.1339
155 1J78 VDY 30.7087
156 5EEH SAH 33.0709
157 5EEH P9P 33.0709
158 1OW4 2AN 37.7953
Pocket No.: 2; Query (leader) PDB : 3R1V; Ligand: AZB; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 3r1v.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1LFO OLA None
2 5ICE 2H4 2.3622
3 5OCM 9RH 2.3622
4 5NTP 98E 3.14961
5 6H8S FSZ 3.14961
6 1BWO LPC 3.33333
7 4QGE 35O 3.93701
8 3X01 AMP 3.93701
9 5L7G 6QE 4.72441
10 1SR7 MOF 4.72441
11 4POJ 2VP 5.51181
12 3P9T TCL 5.51181
13 3JRS A8S 7.21154
14 1TV5 N8E 7.87402
15 1XMY ROL 7.87402
16 4CNO 9PY 9.44882
17 4M51 BEZ 10.2362
18 3SQP 3J8 10.2362
19 2ZL4 ALA ALA ALA ALA 11.0236
20 1XVB 3BR 13.3858
21 4MGA 27L 14.1732
22 5OSW AE4 16.5354
23 1T0S BML 17.4419
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